Vitas-M small molecule compound
ethyl (4-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK063520
SMILES CCOC(=O)COc1ccc(cc1)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H17FN2O5S MW 428.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN2O5S/c1-2-28-18(25)12-29-16-9-3-13(4-10-16)11-17-19(26)23-21(30)24(20(17)27)15-7-5-14(22)6-8-15/h3-11H,2,12H2,1H3,(H,23,26,30)/b17-11-InChIKey
IIEXKAZWURRLGX-BOPFTXTBSA-NSynonyms
CCOC(=O)COC1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F
CCOC(=O)COc1ccc(cc1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
ETHYL(4((Z)(1(4FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ethyl2(4((Z)(1(4fluorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)acetate
InChI=1SC21H17FN2O5Sc122818(25)1229169313(41016)111719(26)2321(30)24(20(17)27)157514(22)6815h311H212H21H3(H232630)b1711
MFCD04546022
STK063520
ZINC000009259406
ZINC09259406
ZINC9259406
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